Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

	ID:	t42
	Name:	benzo[a]pyrene
	Description:
	Labels:	Training
	CAS:	50-32-8
	InChi Code:	InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.69	experimental value
4.0024	Tab2: Multilinear model for diverse chemicals (Training set)
4.0024	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID2020139	US EPA CompTox Dashboard